3-methyl-2-[9-(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)perylen-3-yl]butanoic acid

Systemtic Name: 3-methyl-2-[9-(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)perylen-3-yl]butanoic acid Openeye Name: 2-[9-(1-carboxy-2-methyl-propyl)perylen-3-yl]-3-methyl-butanoic acid CAS Name: 2-[9-(1-hydroxy-3-methyl-1-oxobutan-2-yl)-3-perylenyl]-3-methylbutanoic acid IUPAC Name: 2-[9-(1-hydroxy-3-methyl-1-oxobutan-2-yl)perylen-3-yl]-3-methylbutanoic acid Traditional Name: 2-[9-(1-carboxy-2-methyl-propyl)perylen-3-yl]-3-methyl-butyric acid Formula: C30H28O4 MolecularWeight: 452.54092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C2C3=C4C(=CC=C3)C(=CC=C4C5=C2C1=CC=C5)C(C(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C(C1=CC=C2C3=C4C(=CC=C3)C(=CC=C4C5=C2C1=CC=C5)C(C(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C30H28O4/c1-15(2)25(29(31)32)21-11-13-23-20-10-6-8-18-22(26(16(3)4)30(33)34)12-14-24(28(18)20)19-9-5-7-17(21)27(19)23/h5-16,25-26H,1-4H3,(H,31,32)(H,33,34)